methyl 2,5-dimethylindolizine-1-carboxylate

C12H13NO2 — CID 121000758

IUPACmethyl 2,5-dimethylindolizine-1-carboxylate
SMILESCOC(=O)c1c(C)cn2c(C)cccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-9(2)5-4-6-10(13)11(8)12(14)15-3/h4-7H,1-3H3
InChIKeyFIZKVBKRMHJLOX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.34
Rot. Bonds1

About methyl 2,5-dimethylindolizine-1-carboxylate

methyl 2,5-dimethylindolizine-1-carboxylate (PubChem CID 121000758) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2,5-dimethylindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethylindolizine-1-carboxylate
PubChem CID121000758
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 2,5-dimethylindolizine-1-carboxylate
SMILESCOC(=O)c1c(C)cn2c(C)cccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-9(2)5-4-6-10(13)11(8)12(14)15-3/h4-7H,1-3H3
InChIKeyFIZKVBKRMHJLOX-UHFFFAOYSA-N
XLogP2.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-methylindolizine-8-carboxylate
CID 134433925
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
methyl 2-methyl-6-methylsulfonylbenzoate
CID 174534028
methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
CID 101440255
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
CID 102142816
methyl 7-(2-hydroxyacetyl)pyrido[1,2-a]indole-10-carboxylate
CID 66667573
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-[(1R)-1-aminoethyl]-6-methylbenzoate
CID 131124191

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethylindolizine-1-carboxylate?
The IUPAC name of methyl 2,5-dimethylindolizine-1-carboxylate (CID 121000758) is methyl 2,5-dimethylindolizine-1-carboxylate.
What is the SMILES notation for methyl 2,5-dimethylindolizine-1-carboxylate?
The canonical SMILES for methyl 2,5-dimethylindolizine-1-carboxylate is COC(=O)c1c(C)cn2c(C)cccc12.
What is the InChIKey of methyl 2,5-dimethylindolizine-1-carboxylate?
The InChIKey is FIZKVBKRMHJLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-7-13-9(2)5-4-6-10(13)11(8)12(14)15-3/h4-7H,1-3H3.
What are the key properties of methyl 2,5-dimethylindolizine-1-carboxylate?
methyl 2,5-dimethylindolizine-1-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethylindolizine-1-carboxylate is sourced from PubChem (CID 121000758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).